Doping Nature of Native Defects in $1T\text{\ensuremath{-}}{\mathrm{TiSe}}_{2}$

Doping Nature of Native Defects in $1 T − {TiSe}_{2}$

B. Hildebrand, C. Didiot, A. M. Novello, G. Monney, A. Scarfato, A. Ubaldini, H. Berger, D. R. Bowler, C. Renner, and P. Aebi

Phys. Rev. Lett. 112, 197001 – Published 14 May 2014

Abstract

The transition-metal dichalcogenide $1 T − {TiSe}_{2}$ is a quasi-two-dimensional layered material with a charge density wave (CDW) transition temperature of $T_{CDW} \approx 200 K$ . Self-doping effects for crystals grown at different temperatures introduce structural defects, modify the temperature-dependent resistivity, and strongly perturbate the CDW phase. Here, we study the structural and doping nature of such native defects combining scanning tunneling microscopy or spectroscopy and ab initio calculations. The dominant native single atom dopants we identify in our single crystals are intercalated Ti atoms, Se vacancies, and Se substitutions by residual iodine and oxygen.

Received 19 February 2014

DOI:https://doi.org/10.1103/PhysRevLett.112.197001

Authors & Affiliations

B. Hildebrand^1,*, C. Didiot^1,†, A. M. Novello², G. Monney¹, A. Scarfato², A. Ubaldini², H. Berger³, D. R. Bowler⁴, C. Renner², and P. Aebi¹

¹Département de Physique and Fribourg Center for Nanomaterials, Université de Fribourg, CH-1700 Fribourg, Switzerland
²Département de Physique de la Matière Condensée, University of Geneva, 24 Quai Ernest-Ansermet, 1211 Geneva 4, Switzerland
³Institut de Génie Atomique, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland
⁴London Centre for Nanotechnology and Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom

^*Corresponding author. baptiste.hildebrand@unifr.ch
^†Corresponding author. clement.didiot@unifr.ch

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Vol. 112, Iss. 19 — 16 May 2014

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Physical Review Letters

Doping Nature of Native Defects in 1T−TiSe2

B. Hildebrand, C. Didiot, A. M. Novello, G. Monney, A. Scarfato, A. Ubaldini, H. Berger, D. R. Bowler, C. Renner, and P. Aebi

Phys. Rev. Lett. 112, 197001 – Published 14 May 2014

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Doping Nature of Native Defects in $1 T − {TiSe}_{2}$